1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C12H10N4O5 MolecularWeight: 290.2316

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5/c17-9(6-15-7-13-12(14-15)16(18)19)8-1-2-10-11(5-8)21-4-3-20-10/h1-2,5,7H,3-4,6H2